methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate

C15H21FO5 — CID 106698538

IUPACmethyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate
SMILESCOCCCOCCOCc1ccc(C(=O)OC)c(F)c1
InChIInChI=1S/C15H21FO5/c1-18-6-3-7-20-8-9-21-11-12-4-5-13(14(16)10-12)15(17)19-2/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyZKEVVTPXEGCEGM-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.18
Rot. Bonds10

About methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate

methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate (PubChem CID 106698538) has the molecular formula C15H21FO5 and a molecular weight of 300.33 g/mol. Its IUPAC name is methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate
PubChem CID106698538
Molecular FormulaC15H21FO5
Molecular Weight300.33 g/mol
Exact Mass300.14
IUPAC Namemethyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate
SMILESCOCCCOCCOCc1ccc(C(=O)OC)c(F)c1
InChIInChI=1S/C15H21FO5/c1-18-6-3-7-20-8-9-21-11-12-4-5-13(14(16)10-12)15(17)19-2/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyZKEVVTPXEGCEGM-UHFFFAOYSA-N
XLogP2.18
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 106698537
methyl 2-fluoro-4-(heptoxymethyl)benzoate
CID 106698328
methyl 2-fluoro-4-(4-methylpentoxymethyl)benzoate
CID 106698337
methyl 2-fluoro-4-(2-methylpropoxymethyl)benzoate
CID 106698296
2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
CID 106794181
2-fluoro-4-(pentoxymethyl)benzoic acid
CID 106698387
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
methyl 4-(butan-2-yloxymethyl)-2-fluorobenzoate
CID 106698392
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
methyl 4-(2-bromoethyl)-2-fluorobenzoate
CID 174467510
methyl 4-[(2,4-difluorophenoxy)methyl]-2-fluorobenzoate
CID 103749651
2-fluoro-4-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 104929735

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate?
The IUPAC name of methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate (CID 106698538) is methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate?
The canonical SMILES for methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate is COCCCOCCOCc1ccc(C(=O)OC)c(F)c1.
What is the InChIKey of methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate?
The InChIKey is ZKEVVTPXEGCEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO5/c1-18-6-3-7-20-8-9-21-11-12-4-5-13(14(16)10-12)15(17)19-2/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate?
methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate has a molecular weight of 300.33 g/mol, XLogP of 2.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate is sourced from PubChem (CID 106698538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).